>compound Inosine_Inosine
#instrument UPLC Q-Tof Premier, Waters
>formula C10H12N4O5
#smiles OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(N=2)c(n3)C(=O)NC2
#RECORD LC-ESI-QTOF_train_data/PR100151.txt;LC-ESI-QTOF_train_data/PR100571.txt;LC-ESI-QTOF_train_data/PR100150.txt
>charge 1
>ionization [M+H]+
>parentmass 269.08857

>collision 30
94.0411 70.71
110.0359 151.6
119.0363 122.8
137.0474 830.7

>collision 5-60
92.0259 814.7
108.0207 1153.0
135.031 7208.0
267.073 2793.0

>collision 5-60
110.0362 70.09
137.0473 1271.0

